CID 466862

Isopropenyl 3-cyano-3h-benzo[f]quinoline-4-carboxylate

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CC(=C)OC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C18H14N2O2/c1-12(2)22-18(21)20-14(11-19)8-9-16-15-6-4-3-5-13(15)7-10-17(16)20/h3-10,14H,1H2,2H3
InChIKey
CQNKTNIPXQKNIL-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.10553 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.112806 171.4
[M+Na]+ 313.094748 181.8
[M-H]- 289.098254 173.9
[M+NH4]+ 308.139353 185.7
[M+K]+ 329.068688 173.9
[M+H-H2O]+ 273.102790 157.1
[M+HCOO]- 335.103731 185.2
[M+CH3COO]- 349.119381 213.9
[M+Na-2H]- 311.080196 174.6
[M]+ 290.10498142 166.5
[M]- 290.10607858 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.